sodium 4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxidanyl-butanoate

Systemtic Name: sodium 4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxidanyl-butanoate Openeye Name: sodium 4-(2,3-dihydrobenzofuran-5-yl)-4-hydroxy-butanoate CAS Name: sodium 4-(2,3-dihydrobenzofuran-5-yl)-4-hydroxybutanoate IUPAC Name: sodium 4-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxybutanoate Traditional Name: sodium 4-coumaran-5-yl-4-hydroxy-butyrate Formula: C12H13NaO4 MolecularWeight: 244.21899

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1COC2=C1C=C(C=C2)C(CCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C12H14O4.Na/c13-10(2-4-12(14)15)8-1-3-11-9(7-8)5-6-16-11;/h1,3,7,10,13H,2,4-6H2,(H,14,15);/q;+1/p-1